5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid

C11H15ClN2O2 — CID 43187338

IUPAC5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid
SMILESCCCC(C)Nc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-3-4-7(2)14-10-9(12)5-8(6-13-10)11(15)16/h5-7H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyBIVWZBIOXWEXLW-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.03
Rot. Bonds5

About 5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid

5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid (PubChem CID 43187338) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid
PubChem CID43187338
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid
SMILESCCCC(C)Nc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-3-4-7(2)14-10-9(12)5-8(6-13-10)11(15)16/h5-7H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyBIVWZBIOXWEXLW-UHFFFAOYSA-N
XLogP3.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-(heptan-2-ylamino)pyridine-3-carboxylic acid
CID 55224530
5-chloro-6-[4-(dimethylamino)butan-2-ylamino]pyridine-3-carboxylic acid
CID 54968190
5-chloro-6-(hex-1-yn-3-ylamino)pyridine-3-carboxylic acid
CID 106231009
5-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-3-carboxylic acid
CID 114177015
5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid
CID 79249861
5-chloro-6-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 62186092
5-chloro-6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 54950742
5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid
CID 62305236
5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid
CID 64597735
5-chloro-6-(2-methoxypropylamino)pyridine-3-carboxylic acid
CID 102698529
5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid
CID 115407319
5-chloro-6-[(1-propylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 114100477

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid (CID 43187338) is 5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid is CCCC(C)Nc1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid?
The InChIKey is BIVWZBIOXWEXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-3-4-7(2)14-10-9(12)5-8(6-13-10)11(15)16/h5-7H,3-4H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid?
5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid has a molecular weight of 242.71 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(pentan-2-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 43187338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).